Chem
J-GLOBAL ID：200907094469581688   Nikkaji number：J12.680B

Vibsanin E

ビブサニンE
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C25H36O5
Molecular formula furigana： C25-H36-O5
Molecular weight： 416.558
InChI： InChI=1S/C25H36O5/c1-15(2)11-22(27)29-10-8-21-17(12-16(3)26)23(28)19-14-30-24(4,5)20-7-9-25(21,6)13-18(19)20/h8,10-11,17-21H,7,9,12-14H2,1-6H3/b10-8+/t17-,18+,19+,20+,21-,25-/m0/s1
InChI key： FXXKPLFBIHAEOU-YFIARNFSSA-N
SMILES： CC(=O)C[C@H]1[C@H](/C=C/OC(=O)C=C(C)C)[C@@]2(C)CC[C@@H]3[C@H](C2)[C@@H](COC3(C)C)C1=O
Systematic name  (4)：
  • 3-メチル-2-ブテン酸[(E)-2-[(4aS,9aS)-デカヒドロ-3,3,6-トリメチル-9-オキソ-8α-(2-オキソプロピル)-4α,6α-エタノシクロヘプタ[c]ピラン-7β-イル]ビニル]
  • 3-メチル-2-ブテン酸(E)-2-[(4aβ,9aβ)-3,3,6-トリメチル-8α-(2-オキソプロピル)-9-オキソ-4α,6α-エタノデカヒドロシクロヘプタ[c]ピラン-7β-イル]エテニル
  • (1E)-2-[(1S,4R,8S,10S,11S,13S)-1,5,5-トリメチル-9-オキソ-10-(2-オキソプロピル)-6-オキサトリシクロ[6.3.2.04,13]トリデカン-11-イル]エテニル 3-メチルブタ-2-エノアート
  • (1E)-2-[(1S,4R,8S,10S,11S,13S)-1,5,5-trimethyl-9-oxo-10-(2-oxopropyl)-6-oxatricyclo[6.3.2.04,13]tridecan-11-yl]ethenyl 3-methylbut-2-enoate
Other name (5)：
  • ビブサニンE
  • Vibsanin E
  • Vibsanine E
  • 3-Methyl-2-butenoic acid [(E)-2-[(4aS,9aS)-decahydro-3,3,6-trimethyl-9-oxo-8α-(2-oxopropyl)-4α,6α-ethanocyclohepta[c]pyran-7β-yl]vinyl] ester
  • 3-Methyl-2-butenoic acid (E)-2-[(4aβ,9aβ)-3,3,6-trimethyl-8α-(2-oxopropyl)-9-oxo-4α,6α-ethanodecahydrocyclohepta[c]pyran-7β-yl]ethenyl ester
CAS registry number： 72526-82-0
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